General Information of the Compound
| Compound ID |
CP0923548
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-2-(4-(benzyloxy)benzamido)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C40H46N4O5
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| Molecular Weight |
662.831
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C40H46N4O5/c1-40(2,3)28-42-36(45)25-35(44-37(46)32-20-22-33(23-21-32)49-27-31-17-11-6-12-18-31)39(48)43-34(24-19-29-13-7-4-8-14-29)38(47)41-26-30-15-9-5-10-16-30/h4-18,20-23,34-35H,19,24-28H2,1-3H3,(H,41,47)(H,42,45)(H,43,48)(H,44,46)/t34-,35-/m0/s1
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| InChIKey |
LQXNHRNIPLEXSB-PXLJZGITSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound